Dec-8-en-4,6-diynyl 3-methylbutanoate

Details

• Internal ID: 0807f8eb-666a-4ffb-84b5-65058dbaa9de
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
• IUPAC Name: dec-8-en-4,6-diynyl 3-methylbutanoate
• SMILES (Canonical): CC=CC#CC#CCCCOC(=O)CC(C)C
• SMILES (Isomeric): CC=CC#CC#CCCCOC(=O)CC(C)C
• InChI: InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3
• InChI Key: KWRUHFXUFNAAJG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₂
• Molecular Weight: 232.32 g/mol
• Exact Mass: 232.146329876 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 3.90

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.29%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.60%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.98%	94.45%
CHEMBL2581	P07339	Cathepsin D	88.99%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	87.54%	96.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.67%	100.00%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.05%	97.29%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	83.93%	96.47%
CHEMBL2885	P07451	Carbonic anhydrase III	81.97%	87.45%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.58%	90.71%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	81.43%	97.47%

Plants that contains it

• Carthamus tinctorius

Cross-Links

• PubChem: 528758
• LOTUS: LTS0113130
• wikiData: Q105147078